methyl 2-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H23N3O4S2/c1-16(29)17-10-12-18(13-11-17)26-25(33)27-19-6-5-7-20(14-19)34-15-23(30)28-22-9-4-3-8-21(22)24(31)32-2/h3-14H,15H2,1-2H3,(H,28,30)(H2,26,27,33)